CID 5311

Vorinostat

Structural Information

Molecular Formula
C14H20N2O3
SMILES
C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO
InChI
InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
InChIKey
WAEXFXRVDQXREF-UHFFFAOYSA-N
Compound name
N'-hydroxy-N-phenyloctanediamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

3083
References

67119
Patents

264.1474 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 162.8
[M+Na]+ 287.13662 165.8
[M-H]- 263.14012 164.0
[M+NH4]+ 282.18122 177.6
[M+K]+ 303.11056 163.2
[M+H-H2O]+ 247.14466 155.2
[M+HCOO]- 309.14560 185.3
[M+CH3COO]- 323.16125 198.6
[M+Na-2H]- 285.12207 166.0
[M]+ 264.14685 162.5
[M]- 264.14795 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe